5-(2,6-dimethoxyphenyl)-1-[4-[(4-methylphenyl)sulfonylamino]-2-propan-2-yl-phenyl]pyrazole-3-carboxylic acid

Systemtic Name: 5-(2,6-dimethoxyphenyl)-1-[4-[(4-methylphenyl)sulfonylamino]-2-propan-2-yl-phenyl]pyrazole-3-carboxylic acid Openeye Name: 5-(2,6-dimethoxyphenyl)-1-[2-isopropyl-4-(p-tolylsulfonylamino)phenyl]pyrazole-3-carboxylic acid CAS Name: 5-(2,6-dimethoxyphenyl)-1-[4-[(4-methylphenyl)sulfonylamino]-2-propan-2-ylphenyl]-3-pyrazolecarboxylic acid IUPAC Name: 5-(2,6-dimethoxyphenyl)-1-[4-[(4-methylphenyl)sulfonylamino]-2-propan-2-ylphenyl]pyrazole-3-carboxylic acid Traditional Name: 5-(2,6-dimethoxyphenyl)-1-[2-isopropyl-4-(tosylamino)phenyl]pyrazole-3-carboxylic acid Formula: C28H29N3O6S MolecularWeight: 535.61136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3C(=CC(=N3)C(=O)O)C4=C(C=CC=C4OC)OC)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3C(=CC(=N3)C(=O)O)C4=C(C=CC=C4OC)OC)C(C)C

InChI

InChI=1S/C28H29N3O6S/c1-17(2)21-15-19(30-38(34,35)20-12-9-18(3)10-13-20)11-14-23(21)31-24(16-22(29-31)28(32)33)27-25(36-4)7-6-8-26(27)37-5/h6-17,30H,1-5H3,(H,32,33)